N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide

C18H15ClN2OS — CID 112986929

IUPACN-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN2OS/c19-16-5-1-2-6-17(16)20-13-7-9-14(10-8-13)21-18(22)12-15-4-3-11-23-15/h1-11,20H,12H2,(H,21,22)
InChIKeyOSMHHXRSOGRKJL-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.33
Rot. Bonds5

About N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide

N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 112986929) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
PubChem CID112986929
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC NameN-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Nc2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN2OS/c19-16-5-1-2-6-17(16)20-13-7-9-14(10-8-13)21-18(22)12-15-4-3-11-23-15/h1-11,20H,12H2,(H,21,22)
InChIKeyOSMHHXRSOGRKJL-UHFFFAOYSA-N
XLogP5.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-chloroanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113018428
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
CID 3108904
N-(2-hydroxyphenyl)-2-thiophen-2-ylacetamide
CID 837925
N-(2-acetamidophenyl)-2-thiophen-2-ylacetamide
CID 1363852
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113050922
3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 82034683
N-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 62908415
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
CID 31970330
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide (CID 112986929) is N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Nc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is OSMHHXRSOGRKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-16-5-1-2-6-17(16)20-13-7-9-14(10-8-13)21-18(22)12-15-4-3-11-23-15/h1-11,20H,12H2,(H,21,22).
What are the key properties of N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 342.85 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 112986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).